6-butyl-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-butyl-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-butyl-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butyl-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butyl-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-butyl-4,7,8-trimethyl-2-phenacyl-purin[7,8-a]imidazole-1,3-quinone Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C22H25N5O3/c1-5-6-12-25-14(2)15(3)27-18-19(23-21(25)27)24(4)22(30)26(20(18)29)13-17(28)16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3